Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO4
Pair distribution function (PDF) analysis of the scheelite-type material PbWO4 reveals
previously unidentified short-range structural distortions in the PbO8 polyhedra and WO4 …
previously unidentified short-range structural distortions in the PbO8 polyhedra and WO4 …
Insight into the Fergusonite–Scheelite phase transition of ABO4-type oxides by density functional theory: a case study of the subtleties of the ground state of BiVO4
BiVO4 (BVO) is an important photocatalytic and ferroelastic material. It has been extensively
studied using density functional theory (DFT). However, on optimization, at a commonly …
studied using density functional theory (DFT). However, on optimization, at a commonly …
Proton conductivity in multi-component ABO 4-type oxides
AAA Elameen, A Dawczak, T Miruszewski… - Physical Chemistry …, 2023 - pubs.rsc.org
This work investigates how configurational entropy in oxides could affect proton conductivity.
For this purpose, three samples of different elemental compositions are synthesized. Five …
For this purpose, three samples of different elemental compositions are synthesized. Five …
Beyond the ionic radii: A multifaceted approach to understand differences between the structures of LnNbO4 and LnTaO4 fergusonites
Synchrotron X-ray powder diffraction methods have been used to obtain accurate structures
of the lanthanoid tantalates, LnTaO 4, at room temperature. Three different structures are …
of the lanthanoid tantalates, LnTaO 4, at room temperature. Three different structures are …
Neutron diffraction study of the monoclinic–tetragonal phase transition in NdNbO 4 and NdTaO 4
M Saura-Múzquiz, BG Mullens… - Dalton …, 2021 - pubs.rsc.org
Phase transition and high-temperature properties of NdNbO4 and NdTaO4 were studied in
situ using powder neutron diffraction methods. Both oxides undergo a reversible phase …
situ using powder neutron diffraction methods. Both oxides undergo a reversible phase …
Enhanced acceptor concentration, proton conductivity, and hydration in multicomponent rare‐earth ortho‐niobates
A Dawczak, W Skubida… - Journal of the …, 2024 - Wiley Online Library
The structural properties of (La0. 2Nd0. 2Sm0. 2Gd0. 2Eu0. 2) 1− xCaxNbO4− δ (x= 0–0.05)
series have been studied by X‐ray powder diffraction at room temperature. The thermal …
series have been studied by X‐ray powder diffraction at room temperature. The thermal …
Variable Temperature In Situ Neutron Powder Diffraction and Conductivity Studies of Undoped HoNbO4 and HoTaO4
Neutron powder diffraction data has been used to quantify the monoclinic (space group I
2/a) to tetragonal (I 41/a) phase transition that occurs at 775° C in HoNbO4 and 1300° C in …
2/a) to tetragonal (I 41/a) phase transition that occurs at 775° C in HoNbO4 and 1300° C in …
Long-range A-site cation disorder in NaA (MO4) 2 (M= Mo, W) double scheelite oxides
Synchrotron X-ray and neutron powder diffraction methods have been used to obtain
accurate long-range average structures of some double scheelite compounds of the type Na …
accurate long-range average structures of some double scheelite compounds of the type Na …
Understanding band gaps of lanthanide niobates via first-principles calculations
The optical properties of rare-earth niobates play a crucial role in determining their
performance as luminescent materials or host materials. In this study, we performed first …
performance as luminescent materials or host materials. In this study, we performed first …
Toxic, radioactive, and disordered: a total scattering study of TlTcO 4
A detailed variable temperature neutron total scattering study of the potential nuclear waste
matrix TlTcO4 was conducted. The long-range average structure of TlTcO4 undergoes an …
matrix TlTcO4 was conducted. The long-range average structure of TlTcO4 undergoes an …